3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid

C15H13FO4 — CID 117244430

IUPAC3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C15H13FO4/c16-10-5-7-11(8-6-10)20-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-8,13,17H,9H2,(H,18,19)
InChIKeyPQLRZMARMCOEEV-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.78
Rot. Bonds5

About 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid

3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid (PubChem CID 117244430) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
PubChem CID117244430
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(COc1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C15H13FO4/c16-10-5-7-11(8-6-10)20-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-8,13,17H,9H2,(H,18,19)
InChIKeyPQLRZMARMCOEEV-UHFFFAOYSA-N
XLogP2.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244434
3-(3-chlorophenoxy)-2-(2-hydroxyphenyl)propanoic acid
CID 117244384
3-(4-hydroxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244439
2-(2-chlorophenyl)-3-phenoxypropanoic acid
CID 117244307
2-fluoro-3-(4-fluorophenoxy)propanoic acid
CID 105454089
methyl 3-(4-hydroxyphenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244441
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
3-(3-chlorophenoxy)-2-(4-fluorophenyl)propanoic acid
CID 117245238
3-(2-methoxyphenoxy)-2-(2-methoxyphenyl)propanoic acid
CID 117244346
4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
3-[4-[2-carboxy-2-(3,5-dihydroxyphenyl)ethoxy]phenoxy]-2-(3,5-dihydroxyphenyl)propanoic acid
CID 67652008

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid (CID 117244430) is 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid is O=C(O)C(COc1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid?
The InChIKey is PQLRZMARMCOEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c16-10-5-7-11(8-6-10)20-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-8,13,17H,9H2,(H,18,19).
What are the key properties of 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid?
3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid has a molecular weight of 276.26 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 117244430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).